1-[4-(morpholin-4-ylmethyl)thiophen-2-yl]ethan-1-one

• ChemBase ID: 306936
• Molecular Formular: C11H15NO2S
• Molecular Mass: 225.3073
• Monoisotopic Mass: 225.08234973
• SMILES: c1(scc(c1)CN1CCOCC1)C(=O)C
• Canonical SMILES: CC(=O)c1scc(c1)CN1CCOCC1
• InChI: InChI=1S/C11H15NO2S/c1-9(13)11-6-10(8-15-11)7-12-2-4-14-5-3-12/h6,8H,2-5,7H2,1H3
• InChIKey: NIWODBPZPSZMLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(morpholin-4-ylmethyl)thiophen-2-yl]ethan-1-one
• IUPAC Traditional name: 1-[4-(morpholin-4-ylmethyl)thiophen-2-yl]ethanone
• Synonyms: 1-[4-(morpholin-4-ylmethyl)-2-thienyl]ethanone

Database IDs

• CAS Number: 924852-23-3
• MDL Number: MFCD09055267

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.9713541
• LogD (pH = 7.4): 1.1635766
• Log P: 1.166671
• Molar Refractivity: 60.9679 cm^3
• Polarizability: 23.441086 Å^3
• Polar Surface Area: 29.54 Å^2
• H Acceptors: 3
• H Donor: 0